(2-chloranyl-6-fluoranyl-phenyl)methyl 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl 2-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (2-chloro-6-fluoro-phenyl)methyl 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-chloro-6-fluorophenyl)methyl ester IUPAC Name: (2-chloro-6-fluorophenyl)methyl 2-(5-bromo-2-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-(5-bromo-2-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid (2-chloro-6-fluoro-benzyl) ester Formula: C25H22BrClFNO5S MolecularWeight: 582.866283

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC4=C(C=CC=C4Cl)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)OCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C25H22BrClFNO5S/c1-2-33-23-11-10-18(26)13-24(23)35(31,32)29-14-17-7-4-3-6-16(17)12-22(29)25(30)34-15-19-20(27)8-5-9-21(19)28/h3-11,13,22H,2,12,14-15H2,1H3